N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide

Systemtic Name: N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide Openeye Name: N-(2-benzoyl-4-chloro-phenyl)-5-(pyrrolidin-1-ylmethyl)isoxazole-3-carboxamide CAS Name: N-(2-benzoyl-4-chlorophenyl)-5-(1-pyrrolidinylmethyl)-3-isoxazolecarboxamide IUPAC Name: N-(2-benzoyl-4-chlorophenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide Traditional Name: N-(2-benzoyl-4-chloro-phenyl)-5-(pyrrolidinomethyl)isoxazole-3-carboxamide Formula: C22H20ClN3O3 MolecularWeight: 409.8655

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC(=NO2)C(=O)NC3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)CC2=CC(=NO2)C(=O)NC3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H20ClN3O3/c23-16-8-9-19(18(12-16)21(27)15-6-2-1-3-7-15)24-22(28)20-13-17(29-25-20)14-26-10-4-5-11-26/h1-3,6-9,12-13H,4-5,10-11,14H2,(H,24,28)